(3R)-N-methyl-N-(thiolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C15H20N2OS — CID 61153994

IUPAC(3R)-N-methyl-N-(thiolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCN(C(=O)[C@H]1Cc2ccccc2CN1)C1CCSC1
InChIInChI=1S/C15H20N2OS/c1-17(13-6-7-19-10-13)15(18)14-8-11-4-2-3-5-12(11)9-16-14/h2-5,13-14,16H,6-10H2,1H3/t13?,14-/m1/s1
InChIKeyMMUDZHNZOWOWAK-ARLHGKGLSA-N
MW276.40 g/mol
LogP1.66
Rot. Bonds2

About (3R)-N-methyl-N-(thiolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3R)-N-methyl-N-(thiolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 61153994) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is (3R)-N-methyl-N-(thiolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-N-(thiolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID61153994
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name(3R)-N-methyl-N-(thiolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCN(C(=O)[C@H]1Cc2ccccc2CN1)C1CCSC1
InChIInChI=1S/C15H20N2OS/c1-17(13-6-7-19-10-13)15(18)14-8-11-4-2-3-5-12(11)9-16-14/h2-5,13-14,16H,6-10H2,1H3/t13?,14-/m1/s1
InChIKeyMMUDZHNZOWOWAK-ARLHGKGLSA-N
XLogP1.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(thiolan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79353886
(3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896545
N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24692970
N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 107734305
2-[cyclopropyl-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid
CID 104896313
(3S)-N-methyl-N-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896435
N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24711803
[3-(dimethylamino)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 63166926
azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 175030383
(3S)-N-methyl-N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896108
(3R)-N-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106934992
N-methyl-N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 60964201

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-N-(thiolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-methyl-N-(thiolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 61153994) is (3R)-N-methyl-N-(thiolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-N-(thiolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-N-(thiolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CN(C(=O)[C@H]1Cc2ccccc2CN1)C1CCSC1.
What is the InChIKey of (3R)-N-methyl-N-(thiolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is MMUDZHNZOWOWAK-ARLHGKGLSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-17(13-6-7-19-10-13)15(18)14-8-11-4-2-3-5-12(11)9-16-14/h2-5,13-14,16H,6-10H2,1H3/t13?,14-/m1/s1.
What are the key properties of (3R)-N-methyl-N-(thiolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-methyl-N-(thiolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-N-(thiolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 61153994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).